کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1261458 971812 2011 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Compton scattering studies and electronic properties of cerium
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی (عمومی)
پیش نمایش صفحه اول مقاله
Compton scattering studies and electronic properties of cerium
چکیده انگلیسی

Experimental electron momentum density of γ-Ce was measured at an intermediate resolution (0.38 a.u.) using 20 Ci 137Cs Compton spectrometer. The experiment was compared with the first ever theoretical Compton profiles computed using spin polarized relativistic Korringa-Kohn-Rostoker (SPR-KKR) method within atomic sphere approximation; and linear combination of atomic orbitals (LCAO) within generalised gradient approximation (GGA) and recently developed second order generalised gradient approximation (SOGGA). It was seen that the Compton profile derived from LCAO with GGA and SOGGA schemes gave a reasonable agreement with the experimental Compton line shape. Theoretical anisotropies in Compton profiles derived along [100], [110] and [111] directions were explained in terms of degenerate states in the energy bands.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Rare Earths - Volume 29, Issue 8, August 2011, Pages 804-809